N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide

C88H94F11N11O12 — CID 167536992

IUPACN-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c2ocnc2c1.C=CC(=O)Nc1cnc(OC)c(-c2ccc(C(C)C)cc2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/[C@@H]2CC[C@@H](C(F)(F)F)OC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/[C@H]2CC[C@H](C(F)(F)F)OC2)c1.C=CC(=O)Nc1cnc2ccnc(OC3CCC(C(F)(F)F)CC3)c2c1
InChIInChI=1S/C18H18F3N3O2.C18H18F2N2O2.C18H20N2O2.2C17H19F3N2O3/c1-2-16(25)24-12-9-14-15(23-10-12)7-8-22-17(14)26-13-5-3-11(4-6-13)18(19,20)21;1-2-16(23)22-14-9-13(17-15(10-14)21-11-24-17)4-3-12-5-7-18(19,20)8-6-12;1-5-17(21)20-15-10-16(18(22-4)19-11-15)14-8-6-13(7-9-14)12(2)3;2*1-3-15(23)22-13-8-12(16(24-2)21-9-13)6-4-11-5-7-14(25-10-11)17(18,19)20/h2,7-11,13H,1,3-6H2,(H,24,25);2-4,9-12H,1,5-8H2,(H,22,23);5-12H,1H2,2-4H3,(H,20,21);2*3-4,6,8-9,11,14H,1,5,7,10H2,2H3,(H,22,23)/b;4-3+;;2*6-4+/t;;;2*11-,14+/m...10/s1
InChIKeyARLSXPDGCAXSDI-NYCMVWPCSA-N
MW1706.76 g/mol
LogP20.22
Rot. Bonds23

About N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide

N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide (PubChem CID 167536992) has the molecular formula C88H94F11N11O12 and a molecular weight of 1706.76 g/mol. Its IUPAC name is N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide
PubChem CID167536992
Molecular FormulaC88H94F11N11O12
Molecular Weight1706.76 g/mol
Exact Mass1705.69
IUPAC NameN-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c2ocnc2c1.C=CC(=O)Nc1cnc(OC)c(-c2ccc(C(C)C)cc2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/[C@@H]2CC[C@@H](C(F)(F)F)OC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/[C@H]2CC[C@H](C(F)(F)F)OC2)c1.C=CC(=O)Nc1cnc2ccnc(OC3CCC(C(F)(F)F)CC3)c2c1
InChIInChI=1S/C18H18F3N3O2.C18H18F2N2O2.C18H20N2O2.2C17H19F3N2O3/c1-2-16(25)24-12-9-14-15(23-10-12)7-8-22-17(14)26-13-5-3-11(4-6-13)18(19,20)21;1-2-16(23)22-14-9-13(17-15(10-14)21-11-24-17)4-3-12-5-7-18(19,20)8-6-12;1-5-17(21)20-15-10-16(18(22-4)19-11-15)14-8-6-13(7-9-14)12(2)3;2*1-3-15(23)22-13-8-12(16(24-2)21-9-13)6-4-11-5-7-14(25-10-11)17(18,19)20/h2,7-11,13H,1,3-6H2,(H,24,25);2-4,9-12H,1,5-8H2,(H,22,23);5-12H,1H2,2-4H3,(H,20,21);2*3-4,6,8-9,11,14H,1,5,7,10H2,2H3,(H,22,23)/b;4-3+;;2*6-4+/t;;;2*11-,14+/m...10/s1
InChIKeyARLSXPDGCAXSDI-NYCMVWPCSA-N
XLogP20.22
TPSA291.36 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001706.76
LogP ≤ 520.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide?
The IUPAC name of N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide (CID 167536992) is N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide?
The canonical SMILES for N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide is C=CC(=O)Nc1cc(/C=C/C2CCC(F)(F)CC2)c2ocnc2c1.C=CC(=O)Nc1cnc(OC)c(-c2ccc(C(C)C)cc2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/[C@@H]2CC[C@@H](C(F)(F)F)OC2)c1.C=CC(=O)Nc1cnc(OC)c(/C=C/[C@H]2CC[C@H](C(F)(F)F)OC2)c1.C=CC(=O)Nc1cnc2ccnc(OC3CCC(C(F)(F)F)CC3)c2c1.
What is the InChIKey of N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide?
The InChIKey is ARLSXPDGCAXSDI-NYCMVWPCSA-N. The full InChI is InChI=1S/C18H18F3N3O2.C18H18F2N2O2.C18H20N2O2.2C17H19F3N2O3/c1-2-16(25)24-12-9-14-15(23-10-12)7-8-22-17(14)26-13-5-3-11(4-6-13)18(19,20)21;1-2-16(23)22-14-9-13(17-15(10-14)21-11-24-17)4-3-12-5-7-18(19,20)8-6-12;1-5-17(21)20-15-10-16(18(22-4)19-11-15)14-8-6-13(7-9-14)12(2)3;2*1-3-15(23)22-13-8-12(16(24-2)21-9-13)6-4-11-5-7-14(25-10-11)17(18,19)20/h2,7-11,13H,1,3-6H2,(H,24,25);2-4,9-12H,1,5-8H2,(H,22,23);5-12H,1H2,2-4H3,(H,20,21);2*3-4,6,8-9,11,14H,1,5,7,10H2,2H3,(H,22,23)/b;4-3+;;2*6-4+/t;;;2*11-,14+/m...10/s1.
What are the key properties of N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide?
N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide has a molecular weight of 1706.76 g/mol, XLogP of 20.22, 23 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-1,3-benzoxazol-5-yl]prop-2-enamide;N-[6-methoxy-5-(4-propan-2-ylphenyl)-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[6-methoxy-5-[(E)-2-[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide;N-[5-[4-(trifluoromethyl)cyclohexyl]oxy-1,6-naphthyridin-3-yl]prop-2-enamide is sourced from PubChem (CID 167536992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).